pyrazine-2,6-diamine hydrochloride

• ChemBase ID: 70440
• Molecular Formular: C4H7ClN4
• Molecular Mass: 146.57818
• Monoisotopic Mass: 146.03592392
• SMILES: c1(cncc(n1)N)N.Cl
• Canonical SMILES: Nc1cncc(n1)N.Cl
• InChI: InChI=1S/C4H6N4.ClH/c5-3-1-7-2-4(6)8-3;/h1-2H,(H4,5,6,8);1H
• InChIKey: YMMNCVMWOKVYDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2,6-diamine hydrochloride
• IUPAC Traditional name: 2,6-pyrazinediamine hydrochloride
• Synonyms: Pyrazine-2,6-diamine hydrochloride

Database IDs

• CAS Number: 1370411-48-5
• MDL Number: MFCD21604008
• PubChem SID: 162103496
• PubChem CID: 56965756

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9456404
• LogD (pH = 7.4): -0.9312229
• Log P: -0.9310359
• Molar Refractivity: 31.772 cm^3
• Polarizability: 10.842029 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%